首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >1-{4-Chloro-2-2-(2-fluoro­phen­yl)-13-dithio­lan-2-ylphen­yl}-2-methyl-1H-imidazole-5-carbaldehyde
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1-{4-Chloro-2-2-(2-fluoro­phen­yl)-13-dithio­lan-2-ylphen­yl}-2-methyl-1H-imidazole-5-carbaldehyde

机译:1- {4-氯-2- 2-(2-氟-2-苯基)-13-二硫­基-2-基苯基}}-甲基-1H-咪唑-5-甲醛

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摘要

There are two mol­ecules in the asymmetric unit of the title imidazole derivative, C20H16ClFN2OS2. In one mol­ecule, the dithiol­ane ring is disordered over two positions in a 0.849 (9):0.151 (10) ratio. The imidazole ring makes dihedral angles of 79.56 (9) and 18.45 (9)° with the 4-chloro­phenyl and 2-fluoro­phenyl rings, respectively, in one mol­ecule; in the other mol­ecule, the corresponding angles are 82.72 (9) and 17.39 (10)°. In the crystal, mol­ecules are linked by weak C—H⋯O inter­actions and these linked mol­ecules are stacked along the b axis by π–π inter­actions with a centroid–centroid distance of 3.4922 (11) Å. In addition, π–π inter­actions between the imidazole and 2-fluoro­phenyl rings are also observed, with centroid–centroid distances of 3.4867 (11) and 3.4326 (10) Å. The crystal is further consolidated by weak C—H⋯π inter­actions. Cl⋯S [3.5185 (8) Å], C⋯O [3.192 (3) Å] and C⋯C [3.326 (2)–3.393 (3) Å] short contacts are also observed.
机译:标题咪唑衍生物C20H16ClFN2OS2的不对称单元中有两个分子。在一个分子中,二硫杂环戊烷环在两个位置上的比率为0.849(9):0.151(10)。咪唑环与4-氯­苯基和2-氟­苯基环分别在一个分子中形成79.56°(9)和18.45°(9)°的二面角;在另一分子中,相应的角度为82.72(9)和17.39(10)°。在晶体中,分子通过弱的C-H⋯O相互作用连接,并且这些连接的分子通过π-π相互作用沿b轴堆叠,质心-质心距离为3.4922(11)Å。此外,还观察到了咪唑和2-氟­苯环之间的π-π相互作用,质心-质心距离为3.4867(11)和3.4326(10)Å。晶体通过弱C-H⋯π相互作用进一步固结。还观察到Cl⋯S [3.5185(8)],C⋯O [3.192(3)]和C⋯C [3.326(2)–3.393(3)]短触点。

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